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131080-42-7 | 1H-Purine-2,6-dione, 8-(dicyclopropylmethyl)-3,9-dihydro-1,3-dipropyl-
CAS No: 131080-42-7 Catalog No: AG000VHU MDL No:
Product Description
Catalog Number:
AG000VHU
Chemical Name:
1H-Purine-2,6-dione, 8-(dicyclopropylmethyl)-3,9-dihydro-1,3-dipropyl-
CAS Number:
131080-42-7
Molecular Formula:
C18H26N4O2
Molecular Weight:
330.4246
IUPAC Name:
8-(dicyclopropylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
InChI Key:
OEPXIQLEKWHAGE-UHFFFAOYSA-N
SMILES:
CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)C(C1CC1)C1CC1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.432g/mol
Monoisotopic Mass:
330.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| The anticonvulsant action of propofol on epileptiform activity in rat hippocampal slices. | Anesthesia and analgesia 20041001 |
| Mapping adenosine A(1) receptors in the cat brain by positron emission tomography with [(11)C]MPDX. | Nuclear medicine and biology 20020101 |
| Synthesis and preliminary evaluation of [11C]KF15372, a selective adenosine A1 antagonist. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 19951001 |
| Adenosine A1 antagonists. 3. Structure-activity relationships on amelioration against scopolamine- or N6-((R)-phenylisopropyl)adenosine-induced cognitive disturbance. | Journal of medicinal chemistry 19930820 |
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